SCHEMBL7323935

SCHEMBL7323935

COCCCOc1ccc(-c2ccc(C(=O)OC)cc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.72
RAB9A P51151 2/20 0.64
L3MBTL1 Q9Y468 2/20 0.55
TDP1 Q9NUW8 1/20 0.55
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
RARB P10826 4/20 0.51
NPC1 O15118 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
KDM4E B2RXH2 2/20 0.50
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49
HRH3 Q9Y5N1 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7321276 0.97 MAPT (0.72) MAPTRAB9AL3MBTL1TDP1CA1
SCHEMBL14926518 0.95 MAPT (0.70) MAPTRAB9AL3MBTL1TDP1CA1
SCHEMBL1796892 0.95 MAPT (0.79) MAPTRAB9AL3MBTL1TDP1CA1
SCHEMBL14926517 0.92 MAPT (0.80) MAPTRAB9AL3MBTL1TDP1CA1
SCHEMBL15693338 0.92 MAPT (0.79) MAPTRAB9AL3MBTL1TDP1CA1
SCHEMBL7324122 0.90 MAPT (0.77) MAPTRAB9AL3MBTL1TDP1CA1
SCHEMBL6132720 0.90 MAPT (0.77) MAPTRAB9AL3MBTL1TDP1CA1
SCHEMBL6132617 0.90 MAPT (0.77) MAPTRAB9AL3MBTL1TDP1CA1
SCHEMBL10295289 0.90 MAPT (0.77) MAPTRAB9AL3MBTL1TDP1CA1
SCHEMBL2469151 0.90 MAPT (0.89) MAPTRAB9AL3MBTL1TDP1CA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6232290-B1 FUNGICIDES AGAINST PNEUMOCYSTIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-05-15 US disclosed
EP-1053247-A1 ANTIFUNGAL CYCLOHEXAPEPTIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-11-22 EP disclosed
WO-1999040108-A1 NEW COMPOUND FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-08-12 WO disclosed